[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4,5-triethoxyphenyl)methanone Formula: C30H37N2O4+ MolecularWeight: 489.62578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N2O4/c1-4-34-26-21-25(22-27(35-5-2)29(26)36-6-3)30(33)32-19-17-31(18-20-32)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,28H,4-6,17-20H2,1-3H3/p+1